Chemical Properties of Sarcosine, N-(4-nitrobenzoyl)-, hexyl ester

InChI

InChI=1S/C16H22N2O5/c1-3-4-5-6-11-23-15(19)12-17(2)16(20)13-7-9-14(10-8-13)18(21)22/h7-10H,3-6,11-12H2,1-2H3

InChI Key

PYUHYYKSGMOBEY-UHFFFAOYSA-N

Formula

C16H22N2O5

SMILES

CCCCCCOC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

322.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-29.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-449.12	kJ/mol	Joback Calculated Property
ΔfusH°	49.62	kJ/mol	Joback Calculated Property
ΔvapH°	88.68	kJ/mol	Joback Calculated Property
log10WS	-4.06		Crippen Calculated Property
logPoct/wat	2.790		Crippen Calculated Property
McVol	248.950	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Inp	[2622.00; 2622.00]
Inp	2622.00		NIST
Inp	2622.00		NIST
Tboil	891.58	K	Joback Calculated Property
Tc	1113.22	K	Joback Calculated Property
Tfus	607.19	K	Joback Calculated Property
Vc	0.954	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.73; 830.78]	J/mol×K	[891.58; 1113.22]
Cp,gas	769.73	J/mol×K	891.58	Joback Calculated Property
Cp,gas	782.44	J/mol×K	928.52	Joback Calculated Property
Cp,gas	794.07	J/mol×K	965.46	Joback Calculated Property
Cp,gas	804.67	J/mol×K	1002.40	Joback Calculated Property
Cp,gas	814.29	J/mol×K	1039.34	Joback Calculated Property
Cp,gas	822.98	J/mol×K	1076.28	Joback Calculated Property
Cp,gas	830.78	J/mol×K	1113.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-nitrobenzoyl)-, hexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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